REMARK Name = BDB057790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -3.038 2.801 -0.643 0.00 0.00 -0.083 Cl ATOM 2 C LIG 1 -2.243 1.321 -1.057 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.914 0.255 -1.668 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -2.164 -0.886 -1.986 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.798 -0.960 -1.689 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.116 0.094 -1.064 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -0.871 1.236 -0.765 0.00 0.00 +0.043 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 1.256 -0.016 -0.789 0.00 0.00 -0.330 N ATOM 9 C LIG 1 2.014 1.182 -0.428 0.00 0.00 +0.106 C ATOM 10 C LIG 1 3.509 0.977 -0.680 0.00 0.00 +0.038 C ATOM 11 C LIG 1 4.006 -0.436 -0.315 0.00 0.00 +0.060 C ATOM 12 C LIG 1 2.999 -1.152 0.590 0.00 0.00 +0.038 C ATOM 13 C LIG 1 1.649 -1.270 -0.119 0.00 0.00 +0.106 C BRANCH 11 14 ATOM 14 N LIG 1 5.372 -0.513 0.223 0.00 0.00 -0.299 NA ATOM 15 C LIG 1 5.592 0.075 1.542 0.00 0.00 +0.085 C ATOM 16 C LIG 1 7.106 0.245 1.634 0.00 0.00 +0.017 C ATOM 17 C LIG 1 7.634 -0.041 0.234 0.00 0.00 +0.017 C ATOM 18 C LIG 1 6.405 0.034 -0.653 0.00 0.00 +0.085 C ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 3 19 ATOM 19 C LIG 1 -4.391 0.268 -2.004 0.00 0.00 +0.052 C BRANCH 19 20 ATOM 20 C LIG 1 -5.240 -0.672 -1.124 0.00 0.00 +0.089 C BRANCH 20 21 ATOM 21 N LIG 1 -5.335 -0.252 0.277 0.00 0.00 -0.302 NA ATOM 22 C LIG 1 -5.908 -1.295 1.129 0.00 0.00 +0.084 C ATOM 23 C LIG 1 -6.255 -0.549 2.408 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -6.429 0.906 1.985 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -6.205 0.909 0.480 0.00 0.00 +0.084 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 5